2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(3-nitrophenyl)acetamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O5S/c1-34(32,33)27(16-24(29)26-21-3-2-4-23(12-21)28(30)31)22-7-5-20(6-8-22)25-13-17-9-18(14-25)11-19(10-17)15-25/h2-8,12,17-19H,9-11,13-16H2,1H3,(H,26,29)